4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol

C17H20N2O2 — CID 177434524

IUPAC4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol
SMILESCC(C)CCOc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(2)11-12-21-17-9-5-15(6-10-17)19-18-14-3-7-16(20)8-4-14/h3-10,13,20H,11-12H2,1-2H3/b19-18+
InChIKeyRYOZCNOIKWNWCZ-VHEBQXMUSA-N
MW284.36 g/mol
LogP5.23
Rot. Bonds6

About 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol

4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol (PubChem CID 177434524) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol
PubChem CID177434524
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol
SMILESCC(C)CCOc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(2)11-12-21-17-9-5-15(6-10-17)19-18-14-3-7-16(20)8-4-14/h3-10,13,20H,11-12H2,1-2H3/b19-18+
InChIKeyRYOZCNOIKWNWCZ-VHEBQXMUSA-N
XLogP5.23
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
CID 177395808
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
[4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenyl] 4-dodecoxybenzoate
CID 101192631
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293
4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
CID 137240522
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol
CID 136880814
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol?
The IUPAC name of 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol (CID 177434524) is 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol.
What is the SMILES notation for 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol?
The canonical SMILES for 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol is CC(C)CCOc1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol?
The InChIKey is RYOZCNOIKWNWCZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(2)11-12-21-17-9-5-15(6-10-17)19-18-14-3-7-16(20)8-4-14/h3-10,13,20H,11-12H2,1-2H3/b19-18+.
What are the key properties of 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol?
4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol has a molecular weight of 284.36 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol is sourced from PubChem (CID 177434524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).